Commits · e057ae186fb163500fe8a2c3bd4c635dc584d02b · 郑智淋 / lammps · GitLab

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Oct 19, 2019
- fix off-by-one errors in ndx_group · e057ae18
  Axel Kohlmeyer authored Oct 18, 2019
  
  e057ae18
Oct 18, 2019
- some more OpenMP related warnings squashed and code simplified · 34899ad8
  Axel Kohlmeyer authored Oct 18, 2019
  
  34899ad8
- reduce warnings related to OpenMP with clang · d1bf4d57
  Axel Kohlmeyer authored Oct 18, 2019
  
  d1bf4d57
- reduce some more compiler warnings · ed208fa4
  Axel Kohlmeyer authored Oct 18, 2019
  
  ed208fa4
- remove some dead code and reduce compiler warnings in SNAP package · 4e5520ce
  Axel Kohlmeyer authored Oct 18, 2019
  
  4e5520ce
- no need to overload Pair::init_style() when doing exactly the same in USER-CGDNA styles · a3f7d041
  Axel Kohlmeyer authored Oct 18, 2019
  
  a3f7d041
- reduce compiler warnings in USER-AWPMD · d684b705
  Axel Kohlmeyer authored Oct 18, 2019
  
  d684b705
- formatting and reduce compiler warnings · 5b47b0b0
  Axel Kohlmeyer authored Oct 18, 2019
  
  5b47b0b0
- reduce compiler warnings · f0a3628a
  Axel Kohlmeyer authored Oct 18, 2019
  
  f0a3628a
- refactoring of SPIN pair class initialization to increase code reuse · dee63187
  Axel Kohlmeyer authored Oct 18, 2019
  
  dee63187
- allow regexp matches for Modify::find_fix_by_style() and consolidate usage of searching for fixes · dcb1b650
  Axel Kohlmeyer authored Oct 18, 2019
  
  dcb1b650
- have sphinx configuration switch math formula renderer for epub · bb21847f
  Axel Kohlmeyer authored Oct 18, 2019
  bb21847f
- fix some more fgets() related warnings in pair style airebo · 24b54026
  Axel Kohlmeyer authored Oct 18, 2019
  
  24b54026
- Merge pull request #62 from giacomofiorin/fix-compiler-warnings · d9d22658
  Axel Kohlmeyer authored Oct 18, 2019
  d9d22658
- Print parsed compiler flags, some cosmetic changes for added consistency · 693e34b5
  Giacomo Fiorin authored Oct 17, 2019
  
  693e34b5
- Enable COLVARS_LEPTON for make, update build doc for USER-COLVARS · c578e4e7
  Giacomo Fiorin authored Oct 17, 2019
  
  c578e4e7
Oct 17, 2019
- step version number, year, and changelog to reflect fixed bug. · 27d3d442
  Axel Kohlmeyer authored Oct 17, 2019
  
  27d3d442
- fix segfault in atom map hash when using "clear". · 595aa7df
  Axel Kohlmeyer authored Oct 17, 2019
  
  595aa7df
- we need int64_t for both LAMMPS_BIGBIG and LAMMPS_SMALLBIG · 09c15ee6
  Axel Kohlmeyer authored Oct 17, 2019
  
  09c15ee6
- USER-MOLFILE cannot be configured with CMake 2.8.12, requiring 3.10. · 108b9a0a
  Axel Kohlmeyer authored Oct 17, 2019
  
  108b9a0a
- need to enable C compilation to detect BLAS/LAPACK on CMake 2.8.12 · 9a4f208e
  Axel Kohlmeyer authored Oct 17, 2019
  
  9a4f208e
- Merge branch 'master' into fix-compiler-warnings · 68adc56e
  Axel Kohlmeyer authored Oct 17, 2019
  
  68adc56e
- document COLVARS_LEPTON flag to CMake configuration · e4c77f04
  Axel Kohlmeyer authored Oct 16, 2019
  
  e4c77f04
- Merge pull request #1726 from akohlmey/singularity · 4e6f83ce
  Axel Kohlmeyer authored Oct 16, 2019
  4e6f83ce
- Merge pull request #1724 from lammps/lepton-cxx11-handling · 437c0e59
  Axel Kohlmeyer authored Oct 16, 2019
  437c0e59
- Merge pull request #1728 from evoyiatzis/patch-2 · 7d5bf968
  Axel Kohlmeyer authored Oct 16, 2019
  7d5bf968
- Update false_positives.txt · 10031e91
  Evangelos Voyiatzis authored Oct 16, 2019
  10031e91
- Update compute_gyration_shape.txt · 38c819c2
  Evangelos Voyiatzis authored Oct 16, 2019
  38c819c2
Oct 16, 2019
- Add -DCOLVARS_LEPTON, track user's choice via DISABLE_CXX11_REQUIREMENT · 2c9ae7ab
  Giacomo Fiorin authored Oct 16, 2019
  
  2c9ae7ab
- Merge pull request #1727 from yafshar/master · d02f8067
  Axel Kohlmeyer authored Oct 16, 2019
  d02f8067
- Update compute_gyration_shape.cpp · b023e93a
  Evangelos Voyiatzis authored Oct 16, 2019
  b023e93a
- make handling of (temporary) C++11 check disabling define behave consistent across CMake versions · 4aa47386
  Axel Kohlmeyer authored Oct 15, 2019
  
  4aa47386
- Merge pull request #1725 from charlessievers/fix_gjf_bugs · 6b0aba9d
  Axel Kohlmeyer authored Oct 16, 2019
  6b0aba9d
- document support for r-RESPA in pair style zero · 45e8a417
  Axel Kohlmeyer authored Oct 15, 2019
  
  45e8a417
- add support for single() and r-RESPA to pair style zero · b9727e0d
  Axel Kohlmeyer authored Oct 15, 2019
  
  b9727e0d
- Set KIM pointer appropriately for Energy · 681a0e12
  Yaser Afshar authored Oct 15, 2019
  
  681a0e12
Oct 15, 2019
- add reference outputs to example input · bfcab685
  Axel Kohlmeyer authored Oct 15, 2019
  
  bfcab685
- Merge branch 'master' into fix_gjf_bugs · 3ab4be85
  Axel Kohlmeyer authored Oct 15, 2019
  
  3ab4be85
- add false positives and correct spelling to have a clean spellcheck run on centos 7 · f3b2ec80
  Axel Kohlmeyer authored Oct 15, 2019
  
  f3b2ec80
- fix formatting and include example for setting compiler flags to enable C++11 · faf5ded7
  Axel Kohlmeyer authored Oct 15, 2019
  
  faf5ded7

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